Uni-Fold-jax icon indicating copy to clipboard operation
Uni-Fold-jax copied to clipboard

Published 20 hours ago • verified publisher icon dptech-corp

Update to newer OpenMM

Open peastman opened this issue 1 year ago • 0 comments

install_dependencies.sh pins OpenMM to 7.5.1. That's an old release that isn't supported anymore. Could it be updated to the latest release, or alternatively could the pin be removed? I don't think any code changes are needed, although there are some deprecated module names that could be updated to avoid a deprecation warning. The patch in 1openmm.patch1 also isn't needed anymore. That change has been merged upstream.

peastman avatar Sep 07 '22 19:09 peastman